2'-Chloro-2-phenylacetophenone - CAS 72867-72-2

Catalog:	BB034712
Product Name:	2'-Chloro-2-phenylacetophenone
CAS:	72867-72-2
Synonyms:	1-(2-chlorophenyl)-2-phenylethanone; 1-(2-chlorophenyl)-2-phenylethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(2-chlorophenyl)-2-phenylethanone
Description:	2'-Chloro-2-phenylacetophenone (CAS# 72867-72-2) is useful for the preparation of 2,3,4,6-tetrasubstituted pyridine compounds.
Molecular Weight:	230.69
Molecular Formula:	C14H11ClO
Canonical SMILES:	C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2Cl
InChI:	InChI=1S/C14H11ClO/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:	PYTHIEVNGSYRFO-UHFFFAOYSA-N
Boiling Point:	330.231 °C at 760 mmHg
Density:	1.191 g/cm³
MDL:	MFCD02260664
LogP:	3.76540

Publication Number	Title	Priority Date
CN-106547168-B	Black matrix material composition and application	20161028
US-2014128495-A1	Organic-inorganic hybrid material compositions and polymer composites	20121108
US-9428605-B2	Organic-inorganic hybrid material compositions and polymer composites	20121108
WO-2015069472-A1	Organic-inorganic hybrid material compositions and polymer composites	20121108
WO-2012052395-A1	Isoxazole derivatives used as oestrogen modulators	20101018

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Related Functional Groups

Carbonyl Compounds

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Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
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[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	233
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.0498427
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	230.0498427
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7